6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide

C12H19ClN2O3S — CID 113347931

IUPAC6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN2O3S/c1-12(2,6-3-7-16)9-15-19(17,18)10-4-5-11(13)14-8-10/h4-5,8,15-16H,3,6-7,9H2,1-2H3
InChIKeyTUCXCUBKTXWVDW-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.81
Rot. Bonds7

About 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide

6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide (PubChem CID 113347931) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
PubChem CID113347931
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide
SMILESCC(C)(CCCO)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H19ClN2O3S/c1-12(2,6-3-7-16)9-15-19(17,18)10-4-5-11(13)14-8-10/h4-5,8,15-16H,3,6-7,9H2,1-2H3
InChIKeyTUCXCUBKTXWVDW-UHFFFAOYSA-N
XLogP1.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 90954115
5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
CID 103896649
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
3-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139850
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide (CID 113347931) is 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide is CC(C)(CCCO)CNS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide?
The InChIKey is TUCXCUBKTXWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-12(2,6-3-7-16)9-15-19(17,18)10-4-5-11(13)14-8-10/h4-5,8,15-16H,3,6-7,9H2,1-2H3.
What are the key properties of 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide?
6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 113347931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).